期刊
PHYSICAL REVIEW B
卷 92, 期 15, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.155102
关键词
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资金
- Vienna Scientific Cluster (VSC) Research Center - Austrian Federal Ministry of Science, Research and Economy (bmwfw), DFG Research Unit [FOR 1346]
- European Research Council under the European Union's Seventh Framework Programme (FP)/ERC [306447]
- DFG [SFB 1170]
- Austrian Science Fund (FWF) [I1395] Funding Source: Austrian Science Fund (FWF)
- Austrian Science Fund (FWF) [I 1395] Funding Source: researchfish
We present a worm sampling method for calculating one- and two-particle Green's functions using continuoustime quantum Monte Carlo simulations in the hybridization expansion (CT-HYB). Instead of measuring Green's functions by removing hybridization lines from partition function configurations, as in conventional CT-HYB, the worm algorithm directly samples the Green's function. We show that worm sampling is necessary to obtain general two-particle Green's functions which are not of density-density type and that it improves the sampling efficiency when approaching the atomic limit. Such two-particle Green's functions are needed to compute off-diagonal elements of susceptibilities and occur in diagrammatic extensions of the dynamical mean-field theory and in efficient estimators for the single-particle self-energy.
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